[A5-P501] Poster 501

[A5-P501-18] Efficient stacking pattern search for van der Waals hetero structures via Bayesian optimization

*Beomgyu Choi¹, Tsuyohiko Fujigaya^1,2,3, Koichiro Kato^1,3 (1. Graduate School of Eng., Kyushu Univ. (Japan), 2. Int'l. Inst. for Carbon-Neutral Energy Res., Kyushu Univ. (Japan), 3. Center of Molcule Systems, Kyushu Univ. (Japan))

Keywords:2.5D material, DFT, Bayesain optimization, Band gap